SCHEMBL204571

SCHEMBL204571

Nc1ccc2c(c1)sc1cc(N)ccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
RAB9A P51151 4/20 0.78
ALDH1A1 P00352 4/20 0.78
HPGD P15428 3/20 0.78
MMP12 P39900 1/20 0.43
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
GLA P06280 3/20 0.41
NPC1 O15118 3/20 0.41
CA2 P00918 2/20 0.41
KEAP1 Q14145 1/20 0.39
GPR3 P46089 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
POLB P06746 2/20 0.37
CASP1 P29466 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30267589 1.00 MAPT (0.78) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL30785527 1.00 MAPT (0.78) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
Hydrochloric Acid SCHEMBL7056525 0.97 MAPT (0.75) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL18965676 0.95 MAPT (0.72) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL3480951 0.91 MAPT (0.73) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL31238914 0.91 MAPT (0.73) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL24254893 0.89 MAPT (0.64) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL2343867 0.89 ALDH1A1 (1.00) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL29671009 0.89 ALDH1A1 (1.00) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL29671010 0.89 ALDH1A1 (1.00) MAPTSMN1; SMN2RAB9AALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 198 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
EP-0342433-A2 Substituted dibenzothiaphenes AMERICAN CYANAMID COMPANY (US) 1989-11-23 EP claimed
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
EP-3309157-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2019-09-04 EP disclosed
EP-0361377-A2 Pervaporation method of separating liquid organic compound mixture through aromatic imide polymer asymmetric membrane UBE INDUSTRIES, LTD. (JP) 1990-04-04 EP disclosed
EP-0342433-A2 Substituted dibenzothiaphenes AMERICAN CYANAMID COMPANY (US) 1989-11-23 EP disclosed
US-4314015-A Electrophotographic sensitive materials containing disazo compounds RICOH CO., LTD. (JP) 1982-02-02 US disclosed
US-4299896-A Electrophotographic sensitive materials containing a disazo pigment RICOH CO., LTD. (JP) 1981-11-10 US disclosed
US-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 MAPT 94/4885SMN1; SMN2 3082/4885RAB9A 1320/4885
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885SMN1; SMN2 4772/4885RAB9A 4019/4885
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 MAPT 790/4885SMN1; SMN2 2362/4885RAB9A 1496/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC MAPT 4349/4885SMN1; SMN2 1821/4885RAB9A 4125/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR MAPT 4795/4885SMN1; SMN2 611/4885RAB9A 4034/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.